%chk=000018559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018559

0 1
 O   -3.531500      0.2663000       1.398800    
 O  -0.8065000       1.553700     -0.6201000    
 O    4.129400       3.107100       1.172500    
 O   -1.747900      0.9331000      -2.633000    
 N    1.403100       3.038400      0.3571000    
 C   -3.950200      0.2047000      2.5000000E-02
 C   -3.199500     -0.8999000     -0.6929000    
 C   -5.454700     -2.2000000E-03  5.0000001E-02
 C   -1.686700     -0.6334000     -0.7722000    
 C   -5.844300      0.7743000       1.282800    
 C   -4.691600      0.4756000       2.217900    
 C  -0.9778000      -1.768500      -1.533500    
 C   -1.426500      0.6906000      -1.476700    
 C   0.4996000      -1.850300      -1.229900    
 C   0.1644000       3.679900     -7.8599997E-02
 C    1.001500      -2.636000     -0.1795000    
 C  -0.5205000       2.850400      -1.153000    
 C    2.486600       3.289600     -0.6033000    
 C    1.794200       3.511600       1.692300    
 C    1.361100      -1.108900      -2.039100    
 C    3.770800       2.620700     -0.1214000    
 C    3.095200       2.838600       2.120100    
 C    2.397100      -2.670200      5.3199999E-02
 C   0.1492000      -3.388500      0.6449000    
 C    2.733500      -1.142900      -1.810300    
 C    3.249600      -1.918000     -0.7713000    
 C    2.899200      -3.455800       1.103400    
 C   0.6653000      -4.163300       1.684000    
 C    2.037800      -4.196900       1.912900    
 H   -3.739500       1.184600     -0.4192000    
 H   -3.607600      -1.015300      -1.705100    
 H   -3.355800      -1.850500     -0.1666000    
 H   -5.704700      -1.061100      0.1885000    
 H   -5.948300      0.3504000     -0.8598000    
 H   -1.292000     -0.5778000      0.2508000    
 H   -6.814600      0.4873000       1.696100    
 H   -5.872300       1.846200       1.053700    
 H   -4.502300       1.288800       2.924200    
 H   -4.868900     -0.4450000       2.783900    
 H   -1.461100      -2.734300      -1.350300    
 H   -1.104500      -1.629100      -2.617000    
 H  -0.5307000       3.735000      0.7699000    
 H   0.3300000       4.707400     -0.4246000    
 H   9.5200002E-02   2.756600      -2.054000    
 H   -1.465000       3.334400      -1.429100    
 H    2.244000       2.885700      -1.591300    
 H    2.659700       4.368500     -0.7102000    
 H    1.930500       4.600900       1.683500    
 H    1.016900       3.271200       2.426700    
 H   0.9795000     -0.4998000      -2.854300    
 H    4.593100       2.855900     -0.8047000    
 H    3.670500       1.529200     -8.6700000E-02
 H    2.972400       1.754100       2.230200    
 H    3.419500       3.235000       3.087500    
 H  -0.9301000      -3.389200      0.5289000    
 H    3.403700     -0.5645000      -2.439600    
 H    4.325600      -1.928500     -0.6102000    
 H    3.968500      -3.496700       1.300700    
 H  -4.6000001E-03  -4.737300       2.317600    
 H    2.438900      -4.799400       2.722700    


%chk=000018559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018559

0 1
O -4.024867 -0.130625 1.374316
O -0.915784 1.584732 -0.444027
O 4.549051 2.288627 0.977435
O -1.518074 0.993601 -2.614875
N 1.755576 2.768606 0.383453
C -4.275751 0.199829 -0.067033
C -3.448484 -0.749960 -0.945045
C -5.806862 0.088619 -0.263471
C -1.916384 -0.586006 -0.751285
C -6.370078 0.381068 1.149923
C -5.330759 -0.311941 2.054144
C -1.157619 -1.785430 -1.406848
C -1.446970 0.717203 -1.391278
C 0.356327 -1.736319 -1.259120
C 0.470342 3.468535 0.196014
C 1.005822 -2.059177 -0.006686
C -0.363671 2.876239 -0.942604
C 2.819913 3.216424 -0.544211
C 2.242972 2.747645 1.782794
C 1.144302 -1.363622 -2.357015
C 4.048429 2.301291 -0.407956
C 3.477730 1.836125 1.884864
C 2.452511 -1.980090 0.082674
C 0.278143 -2.464406 1.163826
C 2.568811 -1.291642 -2.269139
C 3.213030 -1.592795 -1.069426
C 3.100450 -2.292909 1.323840
C 0.936369 -2.768723 2.358057
C 2.361193 -2.678934 2.443342
H -3.941575 1.248214 -0.212179
H -3.701514 -0.585824 -2.011905
H -3.732213 -1.789171 -0.686961
H -6.074567 -0.938818 -0.577410
H -6.178839 0.790183 -1.029112
H -1.695710 -0.535908 0.328197
H -7.391304 -0.011014 1.296425
H -6.381308 1.469643 1.340750
H -5.247092 0.133871 3.060195
H -5.550048 -1.395811 2.154356
H -1.564408 -2.713710 -0.960857
H -1.418773 -1.801072 -2.481260
H -0.118105 3.385520 1.128124
H 0.608696 4.562180 -0.004478
H 0.227838 2.682712 -1.854633
H -1.211779 3.535855 -1.208009
H 2.448821 3.167950 -1.585727
H 3.123301 4.275765 -0.337735
H 2.515118 3.771224 2.147805
H 1.443158 2.348635 2.434188
H 0.652033 -1.115713 -3.304551
H 4.888758 2.668207 -1.020921
H 3.772679 1.271394 -0.717336
H 3.188461 0.794017 1.634141
H 3.915842 1.870761 2.896337
H -0.813239 -2.538284 1.124430
H 3.149405 -1.001699 -3.151995
H 4.306108 -1.543156 -0.992189
H 4.194153 -2.226334 1.376693
H 0.359581 -3.075894 3.237546
H 2.866756 -2.917187 3.385707


